5-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole

C14H10ClFN4 — CID 2730635

IUPAC5-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole
SMILESFc1ccc(Cn2nnc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C14H10ClFN4/c15-12-5-3-11(4-6-12)14-17-19-20(18-14)9-10-1-7-13(16)8-2-10/h1-8H,9H2
InChIKeySDCUCFAJQHFLIZ-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.18
Rot. Bonds3

About 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole

5-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole (PubChem CID 2730635) has the molecular formula C14H10ClFN4 and a molecular weight of 288.71 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole
PubChem CID2730635
Molecular FormulaC14H10ClFN4
Molecular Weight288.71 g/mol
Exact Mass288.06
IUPAC Name5-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole
SMILESFc1ccc(Cn2nnc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C14H10ClFN4/c15-12-5-3-11(4-6-12)14-17-19-20(18-14)9-10-1-7-13(16)8-2-10/h1-8H,9H2
InChIKeySDCUCFAJQHFLIZ-UHFFFAOYSA-N
XLogP3.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole?
The IUPAC name of 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole (CID 2730635) is 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole is Fc1ccc(Cn2nnc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole?
The InChIKey is SDCUCFAJQHFLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4/c15-12-5-3-11(4-6-12)14-17-19-20(18-14)9-10-1-7-13(16)8-2-10/h1-8H,9H2.
What are the key properties of 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole?
5-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole has a molecular weight of 288.71 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole is sourced from PubChem (CID 2730635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).